N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

C23H25FN6O — CID 167866814

IUPACN-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc2c(c1)ncn2CCN(C)C
InChIInChI=1S/C23H25FN6O/c1-15-22(16(2)30(27-15)19-8-5-17(24)6-9-19)23(31)26-18-7-10-21-20(13-18)25-14-29(21)12-11-28(3)4/h5-10,13-14H,11-12H2,1-4H3,(H,26,31)
InChIKeyZWHWHQXMQCKUOL-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.79
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 167866814) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID167866814
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC NameN-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc2c(c1)ncn2CCN(C)C
InChIInChI=1S/C23H25FN6O/c1-15-22(16(2)30(27-15)19-8-5-17(24)6-9-19)23(31)26-18-7-10-21-20(13-18)25-14-29(21)12-11-28(3)4/h5-10,13-14H,11-12H2,1-4H3,(H,26,31)
InChIKeyZWHWHQXMQCKUOL-UHFFFAOYSA-N
XLogP3.79
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 167866814) is N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc2c(c1)ncn2CCN(C)C.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is ZWHWHQXMQCKUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-15-22(16(2)30(27-15)19-8-5-17(24)6-9-19)23(31)26-18-7-10-21-20(13-18)25-14-29(21)12-11-28(3)4/h5-10,13-14H,11-12H2,1-4H3,(H,26,31).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 167866814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).